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CAS Num: 000078-89-7
SMILES : OCC(CL)C
CHEM : 1-Propanol, 2-chloro-
MOL FOR: C3 H7 CL1 O1
MOL WT : 94.54
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 0.53
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 126.23 (Adapted Stein & Brown method)
Melting Pt (deg C): -56.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.37 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 449 (Mean VP of Antoine & Grain methods)
MP (exp database): < 25 deg C
BP (exp database): 133.5 deg C
VP (exp database): 5.25E+00 mm Hg (7.00E+002 Pa) at 20 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.382e+005
log Kow used: 0.53 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.4193e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Halo Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.67E-006 atm-m3/mole (1.69E-001 Pa-m3/mole)
Group Method: 1.69E-007 atm-m3/mole (1.71E-002 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 3.033E-006 atm-m3/mole (3.074E-001 Pa-m3/mole)
VP: 3.37 mm Hg (source: MPBPVP)
WS: 1.38E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.53 (KowWin est)
Log Kaw used: -4.166 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.696
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7499
Biowin2 (Non-Linear Model) : 0.7173
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9770 (weeks )
Biowin4 (Primary Survey Model) : 3.7402 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5923
Biowin6 (MITI Non-Linear Model): 0.6249
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7348
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 700 Pa (5.25 mm Hg)
Log Koa (Koawin est ): 4.696
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.29E-009
Octanol/air (Koa) model: 1.22E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.55E-007
Mackay model : 3.43E-007
Octanol/air (Koa) model: 9.75E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 2.2726 E-12 cm3/molecule-sec
Half-Life = 4.707 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 56.479 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.49E-007 (Junge-Pankow, Mackay avg)
9.75E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.919 L/kg (MCI method)
Log Koc: 0.465 (MCI method)
Koc : 6.409 L/kg (Kow method)
Log Koc: 0.807 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.2392 days (HL = 0.05765 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.058 (BCF = 1.143)
Log BAF Arnot-Gobas method (upper trophic) = 0.058 (BAF = 1.143)
log Kow used: 0.53 (estimated)
Volatilization from Water:
Henry LC: 1.69E-007 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 3369 hours (140.4 days)
Half-Life from Model Lake : 3.684E+004 hours (1535 days)
Removal In Wastewater Treatment:
Total removal: 1.87 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.36 113 1000
Water 38.8 360 1000
Soil 58.7 720 1000
Sediment 0.0758 3.24e+003 0
Persistence Time: 480 hr